1,3-二羟甲基-5,5-二甲基海因

外观与性状：

液体

密度：

5.83 g/mL at 25 °C(lit.)

熔点：

797 °C(lit.)

沸点：

303.7ºC at 760 mmHg

闪点：

137.5ºC

折射率：

1.529

存储条件/存储方法：

本品内用塑料瓶外用纸箱包装，每瓶10kg、每箱10瓶；采用塑料桶包装，每桶25kg。储存于避光、阴凉、干燥处，室温密闭保存，避免冷冻环境。保质期24个月。

其它信息：

1.性状：无色至淡黄色透明液体

2.相对密度(25℃)：1.16

3.凝固点（℃）：-11

4.溶解性：易溶于水、低级醇，在水相及油水乳液中保持稳定抗菌性能。

海关代码：

2933990090

危险标志：

Xi: Irritant;

CHEMICAL IDENTIFICATION

RTECS NUMBER :

MT9191500

CHEMICAL NAME :

Hydantoin, 1,3-bis(hydroxymethyl)-5,5-dimethyl-

CAS REGISTRY NUMBER :

6440-58-0

LAST UPDATED :

199701

DATA ITEMS CITED :

6

MOLECULAR FORMULA :

C7-H12-N2-O4

MOLECULAR WEIGHT :

188.21

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

Standard Draize test

ROUTE OF EXPOSURE :

Administration onto the skin

SPECIES OBSERVED :

Rodent - rabbit

REFERENCE :

JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 7(3),245,1988 ** ACUTE TOXICITY DATA **

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

2 gm/kg

TOXIC EFFECTS :

Gastrointestinal - ulceration or bleeding from stomach Liver - other changes Kidney, Ureter, Bladder - other changes

REFERENCE :

JACTDZ Journal of the American College of Toxicology. (Mary Ann Liebert, Inc., 1651 Third Ave., New York, NY 10128) V.1-12, 1982-1993. Discontinued. Volume(issue)/page/year: 7(3),245,1988

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

3 gm/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 40,1705,1976

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

1320 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

REFERENCE :

ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 40,1705,1976 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X9646 No. of Facilities: 2940 (estimated) No. of Industries: 12 No. of Occupations: 38 No. of Employees: 88285 (estimated) No. of Female Employees: 67234 (estimated)

毒理学数据：

本品无毒，豚鼠急性经口毒性LD50＞4000mg/kg，老鼠急性经口毒性LD50＞6000mg/kg。

中国海关编码：2933990090

概述：

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素：

品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

摘要/Summary：

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

计算化学数据

1.疏水参数计算参考值（XlogP）:-0.2

2.氢键供体数量:2

3.氢键受体数量:4

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积81.1

7.重原子数量:13

8.表面电荷:0

9.复杂度:251

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1